MassBank Record: JP009234



 CIS-3-HEXENYL 2-OXOPROPANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009234
RECORD_TITLE: CIS-3-HEXENYL 2-OXOPROPANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL 2-OXOPROPANOATE CH$NAME: CIS-3-HEXENYL PYRUVATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14O3 CH$EXACT_MASS: 170.09429 CH$SMILES: CCC=CCCOC(=O)C(C)=O CH$IUPAC: InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4- CH$LINK: INCHIKEY LKNXTZXOBHAYSR-PLNGDYQASA-N
AC$INSTRUMENT: HITACHI M-80B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-b62ed55a2a7c2b31d8e5 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 14 3 30 15 7.6 76 26 1.6 16 27 1.47 15 29 9.1 91 38 1.2 12 39 19.9 199 41 5.9 59 42 5.7 57 43 99.99 999 44 2.6 26 51 0.21 2 52 1.4 14 53 6.7 67 54 5.3 53 55 9.09 91 56 3.6 36 65 1.6 16 67 32.8 328 68 0.25 3 69 1.5 15 79 1.2 12 81 11.2 112 82 4.09 41 83 8.1 81 99 2.2 22 //